CID 70443008

C8H8BrCl — CID 70443008

IUPAC—
SMILESC=Cc1ccccc1.ClBr
InChIInChI=1S/C8H8.BrCl/c1-2-8-6-4-3-5-7-8;1-2/h2-7H,1H2;
InChIKeyAWCSRZSCLFTOOI-UHFFFAOYSA-N
MW219.51 g/mol
LogP3.86
Rot. Bonds1

About CID 70443008

CID 70443008 (PubChem CID 70443008) has the molecular formula C8H8BrCl and a molecular weight of 219.51 g/mol.

Molecular Properties

Compound NameCID 70443008
PubChem CID70443008
Molecular FormulaC8H8BrCl
Molecular Weight219.51 g/mol
Exact Mass217.95
IUPAC Name—
SMILESC=Cc1ccccc1.ClBr
InChIInChI=1S/C8H8.BrCl/c1-2-8-6-4-3-5-7-8;1-2/h2-7H,1H2;
InChIKeyAWCSRZSCLFTOOI-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 70443008?
The IUPAC name of CID 70443008 (CID 70443008) is not available.
What is the SMILES notation for CID 70443008?
The canonical SMILES for CID 70443008 is C=Cc1ccccc1.ClBr.
What is the InChIKey of CID 70443008?
The InChIKey is AWCSRZSCLFTOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.BrCl/c1-2-8-6-4-3-5-7-8;1-2/h2-7H,1H2;.
What are the key properties of CID 70443008?
CID 70443008 has a molecular weight of 219.51 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70443008 is sourced from PubChem (CID 70443008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).